! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S    1.4442695010   0.0343908824   1.8616473938
S    3.5850723968  -1.6146422422  -1.3918123334
O    1.8541700817   1.3741689968   2.2308110703
O    1.6153902010  -1.0448522409   2.8082219355
O   -5.0395608994  -1.1535183264  -1.0981144767
O    2.5469552483   2.6953899723  -1.5558418366
O   -0.4589736394  -1.9485898597   0.7764951811
O   -2.2927315711   1.8229469389   0.9939442740
O    0.7148331398   2.1661420154  -0.3928897995
N   -0.1877032571   0.1817516464   1.5238809968
N   -2.1384638325  -0.4533881996   0.4711067024
N   -3.9307996690   0.5936269208  -0.1041503684
N   -2.9312405372  -1.3893481925  -0.1535688101
C    2.2059650836  -0.4005320612   0.3437501546
C    2.7970382534  -1.6194940973   0.1309056409
C    2.4056286407   0.5356247742  -0.7273132117
C    3.1478097015  -0.0048395183  -1.7292331915
C   -0.8807739097  -0.8292065858   0.9209266489
C    2.8875346512  -2.8539467627   0.9603115342
C   -2.7343246840   0.7948107863   0.5151317743
C   -3.9786795719  -0.7199217384  -0.4755414508
C    1.7925284370   1.8756562892  -0.8495567305
C   -4.9495054559   1.5971659656  -0.3280148784
C   -5.0418215699  -2.5340703073  -1.4822598343
C    2.0144984619   3.9948383524  -1.8355196250
H   -0.5579248902   1.1331183311   1.4880006038
H    3.4292929212   0.4535103767  -2.6645652253
H    1.9069927771  -3.1799975563   1.2935516775
H    3.3303324556  -3.6655629655   0.3873347076
H    3.5118243943  -2.6932952440   1.8374367395
H   -5.8816069285   1.3061187311   0.1490207147
H   -5.1114944423   1.7461616154  -1.3924533714
H   -4.6133290644   2.5325547331   0.1079146291
H   -5.9871136913  -2.6986571234  -1.9886272120
H   -4.9769125066  -3.1805811337  -0.6082261051
H   -4.2193363728  -2.7485337143  -2.1633380578
H    1.1058838059   3.9289998612  -2.4323550278
H    2.7815055223   4.5140766496  -2.4016397787
H    1.8107059765   4.5441564579  -0.9174514855
*